2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C43H51N7O6Si — CID 159945099

IUPAC2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)[C@H](NC(=O)c3cn(COCC[Si](C)(C)C)c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C43H51N7O6Si/c1-28(2)49-18-19-50-32(22-35(51)39(38(50)43(49)54)56-26-29-12-8-6-9-13-29)23-45-42(53)36(31-14-10-7-11-15-31)47-41(52)33-25-48(27-55-20-21-57(3,4)5)40-37(33)46-34(24-44-40)30-16-17-30/h6-15,22,24-25,28,30,36H,16-21,23,26-27H2,1-5H3,(H,45,53)(H,47,52)/t36-/m1/s1
InChIKeyKOSSPFAGPFXPHP-PSXMRANNSA-N
MW790.01 g/mol
LogP6.01
Rot. Bonds16

About 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159945099) has the molecular formula C43H51N7O6Si and a molecular weight of 790.01 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID159945099
Molecular FormulaC43H51N7O6Si
Molecular Weight790.01 g/mol
Exact Mass789.37
IUPAC Name2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)[C@H](NC(=O)c3cn(COCC[Si](C)(C)C)c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C43H51N7O6Si/c1-28(2)49-18-19-50-32(22-35(51)39(38(50)43(49)54)56-26-29-12-8-6-9-13-29)23-45-42(53)36(31-14-10-7-11-15-31)47-41(52)33-25-48(27-55-20-21-57(3,4)5)40-37(33)46-34(24-44-40)30-16-17-30/h6-15,22,24-25,28,30,36H,16-21,23,26-27H2,1-5H3,(H,45,53)(H,47,52)/t36-/m1/s1
InChIKeyKOSSPFAGPFXPHP-PSXMRANNSA-N
XLogP6.01
TPSA149.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.01
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159945099) is 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)N1CCn2c(CNC(=O)[C@H](NC(=O)c3cn(COCC[Si](C)(C)C)c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KOSSPFAGPFXPHP-PSXMRANNSA-N. The full InChI is InChI=1S/C43H51N7O6Si/c1-28(2)49-18-19-50-32(22-35(51)39(38(50)43(49)54)56-26-29-12-8-6-9-13-29)23-45-42(53)36(31-14-10-7-11-15-31)47-41(52)33-25-48(27-55-20-21-57(3,4)5)40-37(33)46-34(24-44-40)30-16-17-30/h6-15,22,24-25,28,30,36H,16-21,23,26-27H2,1-5H3,(H,45,53)(H,47,52)/t36-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 790.01 g/mol, XLogP of 6.01, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-2-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-2-oxo-1-phenylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159945099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).